2-hydroxybenzenesulfonyl fluoride

C6H5FO3S — CID 12553491

IUPAC2-hydroxybenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1O
InChIInChI=1S/C6H5FO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4,8H
InChIKeySYOXQXBDBLELRK-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.05
Rot. Bonds1

About 2-hydroxybenzenesulfonyl fluoride

2-hydroxybenzenesulfonyl fluoride (PubChem CID 12553491) has the molecular formula C6H5FO3S and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-hydroxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-hydroxybenzenesulfonyl fluoride
PubChem CID12553491
Molecular FormulaC6H5FO3S
Molecular Weight176.17 g/mol
Exact Mass175.99
IUPAC Name2-hydroxybenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1O
InChIInChI=1S/C6H5FO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4,8H
InChIKeySYOXQXBDBLELRK-UHFFFAOYSA-N
XLogP1.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxybenzenesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzenesulfonyl fluoride?
The IUPAC name of 2-hydroxybenzenesulfonyl fluoride (CID 12553491) is 2-hydroxybenzenesulfonyl fluoride.
What is the SMILES notation for 2-hydroxybenzenesulfonyl fluoride?
The canonical SMILES for 2-hydroxybenzenesulfonyl fluoride is O=S(=O)(F)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzenesulfonyl fluoride?
The InChIKey is SYOXQXBDBLELRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4,8H.
What are the key properties of 2-hydroxybenzenesulfonyl fluoride?
2-hydroxybenzenesulfonyl fluoride has a molecular weight of 176.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzenesulfonyl fluoride is sourced from PubChem (CID 12553491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).